SCHEMBL3211528

SCHEMBL3211528

NCCCCC(NC(=O)N[C@H](CC1CCCCC1)C(=O)NCc1cc(F)cc(F)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 19/20 0.74
CYP3A4 P08684 2/20 0.51
CPB1 P15086 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3211502 1.00 CPB2 (0.74) CPB2CYP3A4CPB1
SCHEMBL27759884 0.90 CPB2 (0.59) CPB2
SCHEMBL3209751 0.86 CPB2 (0.68) CPB2CYP3A4CPB1
SCHEMBL3208338 0.85 CPB2 (0.80) CPB2CYP3A4CPB1
SCHEMBL27781380 0.85 CPB2 (0.80) CPB2CYP3A4CPB1
SCHEMBL3202319 0.85 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3208377 0.85 CPB2 (0.80) CPB2CYP3A4CPB1
SCHEMBL3202346 0.85 CPB2 (1.00) CPB2CYP3A4CPB1
SCHEMBL3217173 0.83 CPB2 (0.74) CPB2CYP3A4CPB1
SCHEMBL3217143 0.83 CPB2 (0.74) CPB2CYP3A4CPB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa SANOFI-AVENTIS (FR) 2010-02-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100035930-A1 UREA AND SULFAMIDE DERIVATIVES AS INHIBITORS OF TAFIa TFPI, TFPI2, SERPINE1 CPB2 61/4885CYP3A4 1242/4885CPB1 85/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.